| SpectraBase Spectrum ID |
BwCRb7RT3Cx |
| Name |
5-(2-Bromo-4,4,4-trichlorobutan-2-yl)-2-methylcyclohex-2-en-1-one |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14BrCl3O |
| InChI |
InChI=1S/C11H14BrCl3O/c1-7-3-4-8(5-9(7)16)10(2,12)6-11(13,14)15/h3,8H,4-6H2,1-2H3 |
| InChIKey |
GERXNYJPPJNWOG-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.201902276 |
| Molecular Weight |
348.495 g/mol |
| SMILES |
C1(=CCC(CC1=O)C(CC(Cl)(Cl)Cl)(Br)C)C |
| SPLASH |
splash10-0a4i-0940000000-15eded0a49698110e98c |
| Sample Comments |
mixture of isomers (80:20) |
| Source of Spectrum |
CCC-12-SM25-9 |
| Wiley ID |
1839894 |
